N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H24N4O7S2 MolecularWeight: 496.55716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S2/c1-32(28,29)17-8-9-18(19(14-17)24(26)27)21-10-11-22-20(25)15-4-6-16(7-5-15)33(30,31)23-12-2-3-13-23/h4-9,14,21H,2-3,10-13H2,1H3,(H,22,25)