N-[1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]-4-piperidyl]cyclopropanecarboxamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)NC(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)NC(=O)C4CC4

InChI

InChI=1S/C22H31N3O4S/c26-21(17-8-9-17)23-19-10-14-24(15-11-19)22(27)18-6-5-7-20(16-18)30(28,29)25-12-3-1-2-4-13-25/h5-7,16-17,19H,1-4,8-15H2,(H,23,26)