N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-2-methoxy-benzamide Openeye Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-2-methoxy-benzamide CAS Name: N-[3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-2-methoxybenzamide IUPAC Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-2-methoxybenzamide Traditional Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]-2-methoxy-benzamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-31-21-9-5-4-8-20(21)23(28)24-15-14-22(27)25-18-10-12-19(13-11-18)32(29,30)26-16-6-2-3-7-17-26/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)(H,25,27)