3-methyl-2-(phenylcarbamoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 3-methyl-2-(phenylcarbamoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 3-methyl-2-(phenylcarbamoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 3-methyl-2-(phenylcarbamoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 3-methyl-2-(phenylcarbamoylamino)-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-16(2)20(25-22(28)24-17-9-4-3-5-10-17)21(27)23-18-11-8-12-19(15-18)31(29,30)26-13-6-7-14-26/h3-5,8-12,15-16,20H,6-7,13-14H2,1-2H3,(H,23,27)(H2,24,25,28)