N-[(2-methoxy-5-nitro-phenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-aniline

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-aniline Openeye Name: 2-isopropoxy-N-[(2-methoxy-5-nitro-phenyl)methyl]-5-(1-piperidylsulfonyl)aniline CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-5-(1-piperidinylsulfonyl)-2-propan-2-yloxyaniline IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline Traditional Name: (2-isopropoxy-5-piperidinosulfonyl-phenyl)-(2-methoxy-5-nitro-benzyl)amine Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H29N3O6S/c1-16(2)31-22-10-8-19(32(28,29)24-11-5-4-6-12-24)14-20(22)23-15-17-13-18(25(26)27)7-9-21(17)30-3/h7-10,13-14,16,23H,4-6,11-12,15H2,1-3H3