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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxo-ethoxy]phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide Traditional Name: 4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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