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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S2/c1-3-15(2)19(23-20(26)16-7-5-4-6-8-16)21(27)24-11-13-25(14-12-24)31(28,29)18-10-9-17(22)30-18/h4-10,15,19H,3,11-14H2,1-2H3,(H,23,26)/t15-,19-/m0/s1