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

Systemtic Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide Openeye Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide CAS Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[[3-(4-methyl-1-piperazinyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide Traditional Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[3-(4-methylpiperazino)benzyl]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)NCC2=CC(=CC=C2)N3CCN(CC3)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCC(=O)NCC2=CC(=CC=C2)N3CCN(CC3)C)C)OC

InChI

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