N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(2-methoxy-5-methyl-benzyl)-N-methyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-15-7-8-19(29-3)17(11-15)13-23(2)21(26)16-5-4-6-18(12-16)30(27,28)24-10-9-22-20(25)14-24/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,25)