2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[(4-bromophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[(4-bromophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-(tetrahydrofurfuryl)benzamide Formula: C25H31BrN2O4S2 MolecularWeight: 567.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4CCCO4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)NCC4CCCO4)C

InChI

InChI=1S/C25H31BrN2O4S2/c1-17-12-18(2)16-28(15-17)34(30,31)22-9-10-24(33-21-7-5-19(26)6-8-21)23(13-22)25(29)27-14-20-4-3-11-32-20/h5-10,13,17-18,20H,3-4,11-12,14-16H2,1-2H3,(H,27,29)