N-[3-(azepan-1-ylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c25-21(20-13-15-12-17(24(26)27)8-9-19(15)30-20)22-16-6-5-7-18(14-16)31(28,29)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,22,25)