N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C30H38N4O3S2 MolecularWeight: 566.77772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C30H38N4O3S2/c1-24(31-30(35)26-12-14-27(15-13-26)39(36,37)34-16-6-3-7-17-34)29(28-11-8-22-38-28)33-20-18-32(19-21-33)23-25-9-4-2-5-10-25/h2,4-5,8-15,22,24,29H,3,6-7,16-21,23H2,1H3,(H,31,35)