4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-pyridylmethyl)butyramide Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CN=CC=C2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CN=CC=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClN3O4S/c1-26-17-8-7-15(11-16(17)19)22(27(2,24)25)10-4-6-18(23)21-13-14-5-3-9-20-12-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,21,23)