4-[2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]benzamide

Systemtic Name: 4-[2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]benzamide Openeye Name: 4-[2-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]tetrazol-5-yl]benzamide CAS Name: 4-[2-[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-5-tetrazolyl]benzamide IUPAC Name: 4-[2-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]tetrazol-5-yl]benzamide Traditional Name: 4-[2-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]tetrazol-5-yl]benzamide Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H25N7O4S/c23-21(31)16-5-7-17(8-6-16)22-25-27-29(26-22)15-20(30)24-18-9-11-19(12-10-18)34(32,33)28-13-3-1-2-4-14-28/h5-12H,1-4,13-15H2,(H2,23,31)(H,24,30)