tert-butyl N-[(2R)-1-[4-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[4-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[4-[(5-bromo-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]piperidine-1-carbonyl]-3-methyl-butyl]carbamate CAS Name: N-[(2R)-1-[4-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]-1-piperidinyl]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[4-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1R)-1-[4-[(5-bromo-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]piperidine-1-carbonyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C26H40BrN3O6S MolecularWeight: 602.5813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H40BrN3O6S/c1-17(2)15-21(28-25(32)36-26(3,4)5)24(31)29-13-11-20(12-14-29)30(19-8-9-19)37(33,34)23-16-18(27)7-10-22(23)35-6/h7,10,16-17,19-21H,8-9,11-15H2,1-6H3,(H,28,32)/t21-/m1/s1