1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-nitro-indazole

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-nitro-indazole Openeye Name: 5-nitro-1-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]indazole CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-nitroindazole IUPAC Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-nitroindazole Traditional Name: 5-nitro-1-[(4-tosyl-1,4-diazepan-1-yl)methyl]indazole Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H23N5O4S/c1-16-3-6-19(7-4-16)30(28,29)23-10-2-9-22(11-12-23)15-24-20-8-5-18(25(26)27)13-17(20)14-21-24/h3-8,13-14H,2,9-12,15H2,1H3