4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(4-pyridylmethyl)benzamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-29(27,28)25(20-4-2-3-19(22)13-20)15-17-5-7-18(8-6-17)21(26)24-14-16-9-11-23-12-10-16/h2-13H,14-15H2,1H3,(H,24,26)