N-[3-(azepan-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C24H39N3O3S MolecularWeight: 449.64976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O3S/c28-24(25-15-10-18-26-16-6-1-2-7-17-26)23-14-8-19-27(21-23)31(29,30)20-9-13-22-11-4-3-5-12-22/h3-5,11-12,23H,1-2,6-10,13-21H2,(H,25,28)