N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-3-(3-ketopiperazino)sulfonyl-N-methyl-benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C22H26N4O5S/c1-15-7-8-16(2)19(11-15)24-21(28)13-25(3)22(29)17-5-4-6-18(12-17)32(30,31)26-10-9-23-20(27)14-26/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,23,27)(H,24,28)