4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 4-methyl-N-[(1S)-2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butan-2-yl]benzamide IUPAC Name: 4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 4-methyl-N-[(1S)-2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)19(22-20(25)17-8-6-16(3)7-9-17)21(26)23-10-12-24(13-11-23)30(27,28)18-5-4-14-29-18/h4-9,14-15,19H,10-13H2,1-3H3,(H,22,25)/t19-/m0/s1