4-(azepan-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-pyridyl)ethyl]benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O3S/c24-20(22-14-12-18-7-3-4-13-21-18)17-8-10-19(11-9-17)27(25,26)23-15-5-1-2-6-16-23/h3-4,7-11,13H,1-2,5-6,12,14-16H2,(H,22,24)