azepan-1-yl-[(2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[(2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[(2S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]methanone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H23N3O3S/c22-18(20-11-5-1-2-6-12-20)15-9-7-13-21(15)17-14-8-3-4-10-16(14)25(23,24)19-17/h3-4,8,10,15H,1-2,5-7,9,11-13H2/t15-/m0/s1