3-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-ethylpiperidino)sulfonylphenyl]-6-nitro-benzothiophene-2-carboxamide Formula: C22H22ClN3O5S2 MolecularWeight: 508.01018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN3O5S2/c1-2-15-5-3-4-12-25(15)33(30,31)17-9-6-14(7-10-17)24-22(27)21-20(23)18-11-8-16(26(28)29)13-19(18)32-21/h6-11,13,15H,2-5,12H2,1H3,(H,24,27)