N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15-7-5-8-16(2)20(15)23-19(25)14-22-21(26)17-9-6-10-18(13-17)29(27,28)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,26)(H,23,25)