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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(4-pyrrolidinobenzyl)butyramide Formula: C23H30ClN3O4S MolecularWeight: 480.02

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C23H30ClN3O4S/c1-31-22-12-11-20(16-21(22)24)27(32(2,29)30)15-5-6-23(28)25-17-18-7-9-19(10-8-18)26-13-3-4-14-26/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,25,28)