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

Systemtic Name: 3-(ethylsulfonylamino)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(ethylsulfonylamino)benzamide CAS Name: 3-(ethylsulfonylamino)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(ethylsulfonylamino)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(esylamino)benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-27(25,26)22-18-10-6-9-17(13-18)20(24)21-19-11-12-23(15-19)14-16-7-4-3-5-8-16/h3-10,13,19,22H,2,11-12,14-15H2,1H3,(H,21,24)/p+1/t19-/m0/s1