N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-3-methyl-butyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-4-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-3-methyl-butyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H39N3O5S/c1-19(2)18-23(25(30)27-14-6-4-5-7-15-27)26-24(29)20-12-16-28(17-13-20)34(31,32)22-10-8-21(33-3)9-11-22/h8-11,19-20,23H,4-7,12-18H2,1-3H3,(H,26,29)/t23-/m0/s1