N-cycloheptyl-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-cycloheptyl-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cycloheptyl-propanamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-cycloheptylpropanamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cycloheptylpropanamide Traditional Name: 2-(4-besylpiperazino)-N-cycloheptyl-propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S/c1-17(20(24)21-18-9-5-2-3-6-10-18)22-13-15-23(16-14-22)27(25,26)19-11-7-4-8-12-19/h4,7-8,11-12,17-18H,2-3,5-6,9-10,13-16H2,1H3,(H,21,24)