N-[4-[2-(azepan-1-yl)ethanoylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[2-(azepan-1-yl)ethanoylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[2-(1-azepanyl)-1-oxoethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c25-20(16-24-14-6-1-2-7-15-24)22-18-10-12-19(13-11-18)29(27,28)23-21(26)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2,(H,22,25)(H,23,26)