(3S)-N-(2-benzamidoethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-benzamidoethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-benzamidoethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-benzamidoethyl)-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-benzamidoethyl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-benzamidoethyl)-1-brosyl-nipecotamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O4S/c22-18-8-10-19(11-9-18)30(28,29)25-14-4-7-17(15-25)21(27)24-13-12-23-20(26)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,23,26)(H,24,27)/t17-/m0/s1