4-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]benzamide

Systemtic Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]benzamide Openeye Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]benzamide CAS Name: 4-acetamido-N-[3-(1-azepanylsulfonyl)phenyl]benzamide IUPAC Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]benzamide Traditional Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4S/c1-16(25)22-18-11-9-17(10-12-18)21(26)23-19-7-6-8-20(15-19)29(27,28)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14H2,1H3,(H,22,25)(H,23,26)