1-(4-bromophenyl)sulfonyl-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-brosyl-N-phenethyl-nipecotamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O3S/c21-18-8-10-19(11-9-18)27(25,26)23-14-4-7-17(15-23)20(24)22-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,22,24)