N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-ethoxybenzyl)isonipecotamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O4S/c1-2-34-25-9-7-8-22(20-25)21-29-18-14-23(15-19-29)27(31)28-24-10-12-26(13-11-24)35(32,33)30-16-5-3-4-6-17-30/h7-13,20,23H,2-6,14-19,21H2,1H3,(H,28,31)