4-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C16H24N3O4S+ MolecularWeight: 354.44446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C=O)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C=O)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N3O4S/c20-13-17-7-4-8-18(10-9-17)15-11-19(12-16(15)21)24(22,23)14-5-2-1-3-6-14/h1-3,5-6,13,15-16,21H,4,7-12H2/p+1/t15-,16-/m0/s1