2-methyl-5-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4S/c1-20-9-10-23(30(31)32)16-25(20)35(33,34)27-18-24(22-8-5-11-26-17-22)29-14-12-28(13-15-29)19-21-6-3-2-4-7-21/h2-11,16-17,24,27H,12-15,18-19H2,1H3