4-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-phenethyl-benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-phenethylbenzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-phenethylbenzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-fluorobenzyl)-N-phenethyl-benzenesulfonamide Formula: C27H31FN2O4S2 MolecularWeight: 530.674443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C27H31FN2O4S2/c28-27-13-7-6-12-24(27)22-30(21-18-23-10-4-3-5-11-23)36(33,34)26-16-14-25(15-17-26)35(31,32)29-19-8-1-2-9-20-29/h3-7,10-17H,1-2,8-9,18-22H2