(2S)-N-cyclohexyl-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-N-ethyl-propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]-N-cyclohexyl-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide Traditional Name: (2S)-2-(4-besylpiperazino)-N-cyclohexyl-N-ethyl-propionamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H33N3O3S/c1-3-24(19-10-6-4-7-11-19)21(25)18(2)22-14-16-23(17-15-22)28(26,27)20-12-8-5-9-13-20/h5,8-9,12-13,18-19H,3-4,6-7,10-11,14-17H2,1-2H3/t18-/m0/s1