3-[(4-bromophenyl)sulfonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(1-piperidin-1-iumyl)propyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Traditional Name: 3-(brosylamino)-N-(3-piperidin-1-ium-1-ylpropyl)propionamide Formula: C17H27BrN3O3S+ MolecularWeight: 433.38358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H26BrN3O3S/c18-15-5-7-16(8-6-15)25(23,24)20-11-9-17(22)19-10-4-14-21-12-2-1-3-13-21/h5-8,20H,1-4,9-14H2,(H,19,22)/p+1