N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O4S/c32-27(29-26-17-7-6-16-25(26)28(33)30-18-8-1-2-9-19-30)24-15-10-20-31(22-24)36(34,35)21-11-14-23-12-4-3-5-13-23/h3-7,12-13,16-17,24H,1-2,8-11,14-15,18-22H2,(H,29,32)