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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(25-22-13-16-26(19-22)18-20-9-4-3-5-10-20)21-11-8-12-23(17-21)31(29,30)27-14-6-1-2-7-15-27/h3-5,8-12,17,22H,1-2,6-7,13-16,18-19H2,(H,25,28)/p+1/t22-/m1/s1