N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O5S2/c1-28-17-9-8-15(30(26,27)23-10-4-2-3-5-11-23)13-16(17)22-19(24)14-21-20(25)18-7-6-12-29-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,21,25)(H,22,24)