2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H21N3O4S2/c19-16(22)15-9-12-26-18(15)20-17(23)13-5-7-14(8-6-13)27(24,25)21-10-3-1-2-4-11-21/h5-9,12H,1-4,10-11H2,(H2,19,22)(H,20,23)