N-[3-(azepan-1-yl)propyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(2,4-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C22H33Cl2N3O3S MolecularWeight: 490.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H33Cl2N3O3S/c23-20-7-6-19(21(24)16-20)17-31(29,30)27-14-8-18(9-15-27)22(28)25-10-5-13-26-11-3-1-2-4-12-26/h6-7,16,18H,1-5,8-15,17H2,(H,25,28)