N-[(2S)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H25N3O4S/c1-13-3-7-16(8-4-13)26(24,25)19-14(2)17(22)20-9-11-21(12-10-20)18(23)15-5-6-15/h3-4,7-8,14-15,19H,5-6,9-12H2,1-2H3/t14-/m0/s1