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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-31-20-8-6-7-18(17-20)23(28)24-14-13-22(27)25-19-9-11-21(12-10-19)32(29,30)26-15-4-2-3-5-16-26/h6-12,17H,2-5,13-16H2,1H3,(H,24,28)(H,25,27)