4-chloranyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(isopropylamino)-2-oxo-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(isopropylamino)-2-keto-ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H22ClN3O4S/c1-11(2)19-15(21)10-18-16(22)12-5-6-13(17)14(9-12)25(23,24)20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22)(H,19,21)