3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide

Systemtic Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide Openeye Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide CAS Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]propanamide IUPAC Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide Traditional Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[(4-methylpiperazino)methyl]phenyl]propionamide Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)C)OC

InChI

InChI=1S/C25H36N4O4S/c1-19-16-23(33-5)17-20(2)25(19)34(31,32)28(4)11-10-24(30)26-22-8-6-21(7-9-22)18-29-14-12-27(3)13-15-29/h6-9,16-17H,10-15,18H2,1-5H3,(H,26,30)