2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(4-cyanophenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(4-cyanophenyl)propionamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N5O3S/c1-17(20(26)22-19-8-6-18(16-21)7-9-19)23-12-14-25(15-13-23)29(27,28)24-10-4-2-3-5-11-24/h6-9,17H,2-5,10-15H2,1H3,(H,22,26)