5-(1,4-diazepan-1-yl)-3-(phenylsulfonyl)-2H-indazole

Systemtic Name: 5-(1,4-diazepan-1-yl)-3-(phenylsulfonyl)-2H-indazole Openeye Name: 3-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-2H-indazole CAS Name: 3-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-2H-indazole IUPAC Name: 3-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-2H-indazole Traditional Name: 3-besyl-5-(1,4-diazepan-1-yl)-2H-indazole Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2S/c23-25(24,15-5-2-1-3-6-15)18-16-13-14(7-8-17(16)20-21-18)22-11-4-9-19-10-12-22/h1-3,5-8,13,19H,4,9-12H2,(H,20,21)