N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitroindazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitroindazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(6-nitro-1-indazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C21H23N5O5S/c27-21(15-25-20-13-18(26(28)29)9-8-16(20)14-22-25)23-17-6-5-7-19(12-17)32(30,31)24-10-3-1-2-4-11-24/h5-9,12-14H,1-4,10-11,15H2,(H,23,27)