N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,4-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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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