N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H28ClN3O4S/c21-17-5-7-18(8-6-17)29(27,28)24-13-9-16(10-14-24)20(26)22-15-19(25)23-11-3-1-2-4-12-23/h5-8,16H,1-4,9-15H2,(H,22,26)