N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H25N3O3S2/c1-15-5-4-12-25(14-15)30(27,28)17-10-8-16(9-11-17)21(26)24-22-19(13-23)18-6-2-3-7-20(18)29-22/h8-11,15H,2-7,12,14H2,1H3,(H,24,26)