N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[(1S)-2-methyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)-1-piperazinyl]-1-oxobutan-2-yl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[(1S)-2-methyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]thiophene-2-sulfonamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C(C(C)C)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-15(2)19(21-28(25,26)18-9-6-14-27-18)20(24)23-12-10-22(11-13-23)17-8-5-4-7-16(17)3/h4-9,14-15,19,21H,10-13H2,1-3H3/t19-/m0/s1