1-(azepan-1-ylsulfonyl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[2-(4-ethoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(2-p-phenetylethyl)nipecotamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-2-29-21-11-9-19(10-12-21)13-14-23-22(26)20-8-7-17-25(18-20)30(27,28)24-15-5-3-4-6-16-24/h9-12,20H,2-8,13-18H2,1H3,(H,23,26)