4-(cyclopropylsulfamoyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(cyclopropylsulfamoyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylsulfamoyl)benzamide CAS Name: 4-(cyclopropylsulfamoyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylsulfamoyl)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylsulfamoyl)benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-21(17-6-10-20(11-7-17)28(26,27)23-18-8-9-18)22-19-12-13-24(15-19)14-16-4-2-1-3-5-16/h1-7,10-11,18-19,23H,8-9,12-15H2,(H,22,25)/p+1/t19-/m0/s1