4-chloranyl-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H24ClN3O4S/c1-14-6-5-7-18(15(14)2)24-20(26)13-23-21(27)16-8-9-17(22)19(12-16)30(28,29)25-10-3-4-11-25/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,23,27)(H,24,26)