4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C22H28ClN3O6S2 MolecularWeight: 530.05722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H28ClN3O6S2/c1-32-21-12-9-18(16-20(21)23)26(33(2,28)29)15-5-6-22(27)24-17-7-10-19(11-8-17)34(30,31)25-13-3-4-14-25/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)