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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-phenyl-propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-phenyl-propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-phenylpropanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-phenylpropanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-phenyl-propionamide Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3S/c1-17(19(24)20-18-9-5-4-6-10-18)21-13-15-23(16-14-21)27(25,26)22-11-7-2-3-8-12-22/h4-6,9-10,17H,2-3,7-8,11-16H2,1H3,(H,20,24)