3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[N-(p-tolylsulfonyl)anilino]-N-(3-pyridylmethyl)propanamide CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(3-pyridylmethyl)-3-(N-tosylanilino)propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-18-9-11-21(12-10-18)29(27,28)25(20-7-3-2-4-8-20)15-13-22(26)24-17-19-6-5-14-23-16-19/h2-12,14,16H,13,15,17H2,1H3,(H,24,26)