N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(23-20-12-15-24(17-20)16-18-6-2-1-3-7-18)19-8-10-21(11-9-19)29(27,28)25-13-4-5-14-25/h1-3,6-11,20H,4-5,12-17H2,(H,23,26)/p+1/t20-/m1/s1