3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O5S2/c21-15-7-5-13(11-18(15)32(29,30)24-9-3-1-2-4-10-24)19(26)23-20-22-16-8-6-14(25(27)28)12-17(16)31-20/h5-8,11-12H,1-4,9-10H2,(H,22,23,26)