1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[4-(m-tolyl)piperazino]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-18-5-4-6-19(15-18)24-11-13-25(14-12-24)23(28)17-33-22-8-7-20(16-21(22)27(29)30)34(31,32)26-9-2-3-10-26/h4-8,15-16H,2-3,9-14,17H2,1H3