4-(azepan-1-ylsulfonyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(3-nitrophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c27-21(24-22-23-20(15-32-22)17-6-5-7-18(14-17)26(28)29)16-8-10-19(11-9-16)33(30,31)25-12-3-1-2-4-13-25/h5-11,14-15H,1-4,12-13H2,(H,23,24,27)