tert-butyl N-[4-[[2-(3-chloranylpropanoylamino)-3H-benzimidazol-5-yl]sulfonyl-cyclopentyloxy-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[2-(3-chloranylpropanoylamino)-3H-benzimidazol-5-yl]sulfonyl-cyclopentyloxy-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[[2-(3-chloropropanoylamino)-3H-benzimidazol-5-yl]sulfonyl-(cyclopentoxy)amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[[2-[(3-chloro-1-oxopropyl)amino]-3H-benzimidazol-5-yl]sulfonyl-cyclopentyloxyamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[2-(3-chloropropanoylamino)-3H-benzimidazol-5-yl]sulfonyl-cyclopentyloxyamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[[2-(3-chloropropanoylamino)-3H-benzimidazol-5-yl]sulfonyl-(cyclopentoxy)amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C30H40ClN5O7S MolecularWeight: 650.1859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(OC2CCCC2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)CCCl)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(OC2CCCC2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)CCCl)O

InChI

InChI=1S/C30H40ClN5O7S/c1-30(2,3)42-29(39)34-25(17-20-9-5-4-6-10-20)26(37)19-36(43-21-11-7-8-12-21)44(40,41)22-13-14-23-24(18-22)33-28(32-23)35-27(38)15-16-31/h4-6,9-10,13-14,18,21,25-26,37H,7-8,11-12,15-17,19H2,1-3H3,(H,34,39)(H2,32,33,35,38)