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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dichlorobenzyl)isonipecotamide Formula: C25H31Cl2N3O3S MolecularWeight: 524.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H31Cl2N3O3S/c26-23-10-5-19(17-24(23)27)18-29-15-11-20(12-16-29)25(31)28-21-6-8-22(9-7-21)34(32,33)30-13-3-1-2-4-14-30/h5-10,17,20H,1-4,11-16,18H2,(H,28,31)