3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(3-pyridyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(1R)-1-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-pyridin-3-ylethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(3-pyridyl)ethyl]benzamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C1=CN=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24ClN3O3S/c1-15(17-7-6-10-22-14-17)23-20(25)16-8-9-18(21)19(13-16)28(26,27)24-11-4-2-3-5-12-24/h6-10,13-15H,2-5,11-12H2,1H3,(H,23,25)/t15-/m1/s1