N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5O3S/c35-29(25-10-12-27(13-11-25)38(36,37)34-15-4-5-16-34)31-22-28(26-9-6-14-30-21-26)33-19-17-32(18-20-33)23-24-7-2-1-3-8-24/h1-3,6-14,21,28H,4-5,15-20,22-23H2,(H,31,35)