(3S)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: (3S)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: (3S)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one CAS Name: (3S)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: (3S)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: (3S)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-(1,2,4-triazol-1-yl)butan-1-one Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C=NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H](C)N3C=NC=N3)C

InChI

InChI=1S/C18H25N5O3S/c1-14-4-5-17(10-15(14)2)27(25,26)22-8-6-21(7-9-22)18(24)11-16(3)23-13-19-12-20-23/h4-5,10,12-13,16H,6-9,11H2,1-3H3/t16-/m0/s1