2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C25H27ClN4O5S MolecularWeight: 531.02368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H27ClN4O5S/c1-35-23-12-11-19(15-21(23)26)30(36(2,33)34)14-6-10-24(31)29-22-9-4-3-8-20(22)25(32)28-17-18-7-5-13-27-16-18/h3-5,7-9,11-13,15-16H,6,10,14,17H2,1-2H3,(H,28,32)(H,29,31)