2-chloranyl-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-14-6-5-7-15(2)20(14)24-19(26)13-23-21(27)17-12-16(8-9-18(17)22)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)