(2S)-N-(4-ethylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(4-ethylphenyl)propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-19-9-11-21(12-10-19)23-22(26)18(2)24-13-15-25(16-14-24)29(27,28)17-20-7-5-4-6-8-20/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m0/s1