2-[(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(1-azepanylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H23N3O2S2/c21-24(22,19-11-5-1-2-6-12-19)20-13-7-9-15(20)17-18-14-8-3-4-10-16(14)23-17/h3-4,8,10,15H,1-2,5-7,9,11-13H2/t15-/m0/s1