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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-isopropoxypropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-(3-isopropoxypropyl)nipecotamide Formula: C18H27BrN2O4S MolecularWeight: 447.38698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)OCCCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H27BrN2O4S/c1-14(2)25-12-4-10-20-18(22)15-5-3-11-21(13-15)26(23,24)17-8-6-16(19)7-9-17/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22)/t15-/m0/s1