N-[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-2-(4-tosylpiperazino)phenyl]-5-nitro-2-piperidino-benzamide Formula: C29H32ClN5O5S MolecularWeight: 598.11288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C29H32ClN5O5S/c1-21-8-11-23(12-9-21)41(39,40)34-18-16-33(17-19-34)28-25(30)6-5-7-26(28)31-29(36)24-20-22(35(37)38)10-13-27(24)32-14-3-2-4-15-32/h5-13,20H,2-4,14-19H2,1H3,(H,31,36)