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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-pyrrolidinopropyl)butyramide Formula: C19H30ClN3O4S MolecularWeight: 431.9772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2CCCC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2CCCC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H30ClN3O4S/c1-27-18-9-8-16(15-17(18)20)23(28(2,25)26)14-5-7-19(24)21-10-6-13-22-11-3-4-12-22/h8-9,15H,3-7,10-14H2,1-2H3,(H,21,24)