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

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C29H36N4O3S2 MolecularWeight: 552.75114

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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)N5CCCC5

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C29H36N4O3S2/c1-23(30-29(34)25-11-13-26(14-12-25)38(35,36)33-15-5-6-16-33)28(27-10-7-21-37-27)32-19-17-31(18-20-32)22-24-8-3-2-4-9-24/h2-4,7-14,21,23,28H,5-6,15-20,22H2,1H3,(H,30,34)