N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Openeye Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Traditional Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C26H29N3O4S/c1-2-15-29(22-11-4-3-5-12-22)34(31,32)23-13-8-10-21(19-23)26(30)27-20-24(25-14-9-18-33-25)28-16-6-7-17-28/h2-5,8-14,18-19,24H,1,6-7,15-17,20H2,(H,27,30)/p+1/t24-/m0/s1