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

Systemtic Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]propanamide CAS Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-[4-[4-(4-pyridyl)piperazino]phenyl]propionamide Formula: C28H35N5O4S MolecularWeight: 537.6736

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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)N3CCN(CC3)C4=CC=NC=C4)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4)C)OC

InChI

InChI=1S/C28H35N5O4S/c1-21-19-26(37-4)20-22(2)28(21)38(35,36)31(3)14-11-27(34)30-23-5-7-24(8-6-23)32-15-17-33(18-16-32)25-9-12-29-13-10-25/h5-10,12-13,19-20H,11,14-18H2,1-4H3,(H,30,34)