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

Systemtic Name: 4-(butylsulfonylamino)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(butylsulfonylamino)benzamide CAS Name: 4-(butylsulfonylamino)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(butylsulfonylamino)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(butylsulfonylamino)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-2-3-15-29(27,28)24-20-11-9-19(10-12-20)22(26)23-21-13-14-25(17-21)16-18-7-5-4-6-8-18/h4-12,21,24H,2-3,13-17H2,1H3,(H,23,26)/p+1/t21-/m0/s1