(2S)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-N-isopropyl-propionamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-17(2)23-22(26)18(3)24-13-15-25(16-14-24)29(27,28)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,23,26)/t18-/m0/s1