N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-14-3-2-10-23(13-14)31(28,29)18-7-4-16(5-8-18)22-21(25)20-12-15-11-17(24(26)27)6-9-19(15)30-20/h4-9,11-12,14H,2-3,10,13H2,1H3,(H,22,25)/t14-/m0/s1