N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-14-11-16(21)7-8-18(14)23-19(25)13-22-20(26)15-5-4-6-17(12-15)29(27,28)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,26)(H,23,25)