N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-nitro-2-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-nitro-2-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-4-nitro-2-(1-piperidylsulfonyl)aniline CAS Name: N-[(E)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-4-nitro-2-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(E)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline Traditional Name: [(E)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-(4-nitro-2-piperidinosulfonyl-phenyl)amine Formula: C24H30N6O6S MolecularWeight: 530.5966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H30N6O6S/c31-29(32)20-9-11-23(27-12-4-1-2-5-13-27)19(16-20)18-25-26-22-10-8-21(30(33)34)17-24(22)37(35,36)28-14-6-3-7-15-28/h8-11,16-18,26H,1-7,12-15H2/b25-18+