4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(3-pyrrolidinopropyl)butyramide Formula: C18H27Cl2N3O3S MolecularWeight: 436.39628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCC1)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCC1)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C18H27Cl2N3O3S/c1-27(25,26)23(17-14-15(19)7-8-16(17)20)13-4-6-18(24)21-9-5-12-22-10-2-3-11-22/h7-8,14H,2-6,9-13H2,1H3,(H,21,24)