N-[(E)-[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-phenyl]methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-benzylidene]amino]-3-piperidinosulfonyl-benzamide Formula: C29H32N4O6S MolecularWeight: 564.65258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C29H32N4O6S/c1-20(2)25-12-10-21(3)16-28(25)39-27-13-11-22(17-26(27)33(35)36)19-30-31-29(34)23-8-7-9-24(18-23)40(37,38)32-14-5-4-6-15-32/h7-13,16-20H,4-6,14-15H2,1-3H3,(H,31,34)/b30-19+