N-[(2S)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H26ClN3O4S2/c1-14(2)19(23-20(26)16-6-4-5-15(3)13-16)21(27)24-9-11-25(12-10-24)31(28,29)18-8-7-17(22)30-18/h4-8,13-14,19H,9-12H2,1-3H3,(H,23,26)/t19-/m0/s1