4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(2-ethylpiperidino)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-2-15-5-3-4-12-24(15)32(29,30)17-9-6-14(7-10-17)20(26)23-21-22-18-11-8-16(25(27)28)13-19(18)31-21/h6-11,13,15H,2-5,12H2,1H3,(H,22,23,26)