N-[(2S,3S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-butyl]benzamide CAS Name: N-[(2S,3S)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-butyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-5-19(3)23(26-24(29)21-9-7-6-8-10-21)25(30)27-13-15-28(16-14-27)33(31,32)22-17-18(2)11-12-20(22)4/h6-12,17,19,23H,5,13-16H2,1-4H3,(H,26,29)/t19-,23-/m0/s1