N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-oxo-3-piperidyl]benzothiophene-2-sulfonamide CAS Name: N-[(3S)-2-oxo-1-(1-propan-2-yl-4-piperidinyl)-3-piperidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-keto-3-piperidyl]benzothiophene-2-sulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1CCC(CC1)N2CCC[C@@H](C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3O3S2/c1-15(2)23-12-9-17(10-13-23)24-11-5-7-18(21(24)25)22-29(26,27)20-14-16-6-3-4-8-19(16)28-20/h3-4,6,8,14-15,17-18,22H,5,7,9-13H2,1-2H3/t18-/m0/s1