4-(azepan-1-ylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S2/c25-19(22-20-21-17-13-15(24(26)27)7-10-18(17)30-20)14-5-8-16(9-6-14)31(28,29)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,21,22,25)