[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(azocan-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(azocan-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(azocan-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(1-azocanyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(azocan-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(azocan-1-yl)methanone Formula: C20H29ClN2O3S MolecularWeight: 412.97386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29ClN2O3S/c21-18-11-10-17(20(24)22-12-6-2-1-3-7-13-22)16-19(18)27(25,26)23-14-8-4-5-9-15-23/h10-11,16H,1-9,12-15H2