N-(3-azanyl-3-oxidanylidene-propyl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)benzamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)benzamide Openeye Name: N-(3-amino-3-oxo-propyl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)benzamide CAS Name: N-(3-amino-3-oxopropyl)-3-(1-azepanylsulfonyl)-N-(2-methoxyphenyl)benzamide IUPAC Name: N-(3-amino-3-oxopropyl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)benzamide Traditional Name: N-(3-amino-3-keto-propyl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)benzamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC(=O)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N(CCC(=O)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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