4-nitro-N-[(E)-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methylideneamino]-2-piperidin-1-ylsulfonyl-aniline

Systemtic Name: 4-nitro-N-[(E)-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methylideneamino]-2-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]methyleneamino]-4-nitro-2-(1-piperidylsulfonyl)aniline CAS Name: 4-nitro-N-[(E)-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]methylideneamino]-2-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(E)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline Traditional Name: [(E)-[4-(4-benzylpiperazino)-3-nitro-benzylidene]amino]-(4-nitro-2-piperidinosulfonyl-phenyl)amine Formula: C29H33N7O6S MolecularWeight: 607.68062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC(=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC(=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H33N7O6S/c37-35(38)25-10-11-26(29(20-25)43(41,42)34-13-5-2-6-14-34)31-30-21-24-9-12-27(28(19-24)36(39)40)33-17-15-32(16-18-33)22-23-7-3-1-4-8-23/h1,3-4,7-12,19-21,31H,2,5-6,13-18,22H2/b30-21+