(3S)-1-(1-benzothiophen-2-ylsulfonyl)-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine

Systemtic Name: (3S)-1-(1-benzothiophen-2-ylsulfonyl)-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine Openeye Name: (3S)-1-(benzothiophen-2-ylsulfonyl)-N-ethyl-N-(4-pyridylmethyl)piperidin-3-amine CAS Name: (3S)-1-(1-benzothiophen-2-ylsulfonyl)-N-ethyl-N-(pyridin-4-ylmethyl)-3-piperidinamine IUPAC Name: (3S)-1-(1-benzothiophen-2-ylsulfonyl)-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine Traditional Name: [(3S)-1-(benzothiophen-2-ylsulfonyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)amine Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O2S2/c1-2-23(15-17-9-11-22-12-10-17)19-7-5-13-24(16-19)28(25,26)21-14-18-6-3-4-8-20(18)27-21/h3-4,6,8-12,14,19H,2,5,7,13,15-16H2,1H3/t19-/m0/s1