N-[2-chloranyl-4-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-chloro-4-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-[(3,4-dimethylphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-chloro-4-[4-(3,4-dimethylbenzyl)piperazino]sulfonyl-phenyl]acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl)C

InChI

InChI=1S/C21H26ClN3O3S/c1-15-4-5-18(12-16(15)2)14-24-8-10-25(11-9-24)29(27,28)19-6-7-21(20(22)13-19)23-17(3)26/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)