2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1H-indazol-6-yl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1H-indazol-6-yl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1H-indazol-6-yl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1H-indazol-6-yl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1H-indazol-6-yl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(1H-indazol-6-yl)acetamide Formula: C20H22BrN5O3S MolecularWeight: 492.38938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C20H22BrN5O3S/c21-16-3-6-18(7-4-16)30(28,29)26-9-1-8-25(10-11-26)14-20(27)23-17-5-2-15-13-22-24-19(15)12-17/h2-7,12-13H,1,8-11,14H2,(H,22,24)(H,23,27)