2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]-N-cycloheptyl-ethanamide Openeye Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-cycloheptyl-acetamide CAS Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-cycloheptylacetamide IUPAC Name: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-cycloheptylacetamide Traditional Name: 2-[besyl-(4-bromobenzyl)amino]-N-cycloheptyl-acetamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27BrN2O3S/c23-19-14-12-18(13-15-19)16-25(29(27,28)21-10-6-3-7-11-21)17-22(26)24-20-8-4-1-2-5-9-20/h3,6-7,10-15,20H,1-2,4-5,8-9,16-17H2,(H,24,26)