4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-[methyl(p-tolylsulfonyl)amino]-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-[methyl(tosyl)amino]-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H28N4O3S/c1-19-5-12-23(13-6-19)33(31,32)28(2)22-10-8-21(9-11-22)25(30)27-18-20-7-14-24(26-17-20)29-15-3-4-16-29/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,27,30)