tert-butyl N-[4-[4-cyanobutyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[4-cyanobutyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[4-cyanobutyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[4-cyanobutyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-cyanobutyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[4-cyanobutyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CCCCC#N)S(=O)(=O)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CCCCC#N)S(=O)(=O)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C27H37N3O6S/c1-27(2,3)36-26(32)29-24(19-21-11-7-5-8-12-21)25(31)20-30(18-10-6-9-17-28)37(33,34)23-15-13-22(35-4)14-16-23/h5,7-8,11-16,24-25,31H,6,9-10,18-20H2,1-4H3,(H,29,32)