N-[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-tosylpiperazino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C30H34ClN5O5S MolecularWeight: 612.13946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C30H34ClN5O5S/c1-21-6-9-24(10-7-21)42(40,41)35-18-16-34(17-19-35)29-25(31)4-3-5-26(29)32-30(37)23-8-11-27(28(20-23)36(38)39)33-14-12-22(2)13-15-33/h3-11,20,22H,12-19H2,1-2H3,(H,32,37)