N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(tosylamino)propionamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-17-7-9-18(10-8-17)29(26,27)23-12-11-21(25)22-16-19(20-6-5-15-28-20)24-13-3-2-4-14-24/h5-10,15,19,23H,2-4,11-14,16H2,1H3,(H,22,25)/p+1/t19-/m0/s1