N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S2/c1-19-10-11-23-24(18-28)27(35-25(23)16-19)29-26(32)20-6-5-9-22(17-20)36(33,34)31-14-12-30(13-15-31)21-7-3-2-4-8-21/h2-9,17,19H,10-16H2,1H3,(H,29,32)/t19-/m0/s1