N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-keto-propyl]thiophene-3-carboxamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H27N3O5S2/c1-29-19-7-6-17(31(27,28)24-11-4-2-3-5-12-24)14-18(19)23-20(25)8-10-22-21(26)16-9-13-30-15-16/h6-7,9,13-15H,2-5,8,10-12H2,1H3,(H,22,26)(H,23,25)