N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O4S/c1-15(2)20(26-22(29)25-16-8-4-3-5-9-16)21(28)24-17-10-11-18(23)19(14-17)32(30,31)27-12-6-7-13-27/h3-5,8-11,14-15,20H,6-7,12-13H2,1-2H3,(H,24,28)(H2,25,26,29)