N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-chloro-3-(3-methylpiperidino)sulfonyl-benzamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)Cl

InChI

InChI=1S/C21H24ClN3O4S2/c1-14-5-4-10-25(12-14)31(28,29)19-11-15(8-9-16(19)22)21(27)24-17-6-2-3-7-18(17)30-13-20(23)26/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H2,23,26)(H,24,27)