N-[4-(azepan-1-ylsulfonyl)phenyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-nitro-thiophene-2-carboxamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c21-17(15-9-10-16(26-15)20(22)23)18-13-5-7-14(8-6-13)27(24,25)19-11-3-1-2-4-12-19/h5-10H,1-4,11-12H2,(H,18,21)