4-(azepan-1-ylsulfonyl)-N-phenethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-phenethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-phenethyl-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-phenethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-phenethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-phenethyl-N-(2-thenyl)benzenesulfonamide Formula: C25H30N2O4S3 MolecularWeight: 518.7117

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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=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H30N2O4S3/c28-33(29,26-17-6-1-2-7-18-26)24-12-14-25(15-13-24)34(30,31)27(21-23-11-8-20-32-23)19-16-22-9-4-3-5-10-22/h3-5,8-15,20H,1-2,6-7,16-19,21H2