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

Systemtic Name: 1-[4-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCCN(CC1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O4S/c1-14(21)18-8-5-9-19(11-10-18)16-12-20(13-17(16)22)25(23,24)15-6-3-2-4-7-15/h2-4,6-7,16-17,22H,5,8-13H2,1H3/t16-,17-/m0/s1