3-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxo-ethoxy]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-keto-ethoxy]phenyl]benzamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCNC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-2-24-22(27)17-31-20-12-10-19(11-13-20)25-23(28)18-8-7-9-21(16-18)32(29,30)26-14-5-3-4-6-15-26/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,27)(H,25,28)