3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(phenylcarbamoyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(phenylcarbamoyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)piperazino]-N-(phenylcarbamoyl)propionamide Formula: C20H31N5O4S MolecularWeight: 437.55624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H31N5O4S/c26-19(22-20(27)21-18-8-4-3-5-9-18)10-13-23-14-16-25(17-15-23)30(28,29)24-11-6-1-2-7-12-24/h3-5,8-9H,1-2,6-7,10-17H2,(H2,21,22,26,27)