N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H29N3O3S2/c1-16-5-11-19-20(15-16)29-22(23-19)24-21(26)12-8-17-6-9-18(10-7-17)30(27,28)25-13-3-2-4-14-25/h6-7,9-10,16H,2-5,8,11-15H2,1H3,(H,23,24,26)/t16-/m0/s1