[2,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2,5-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-1H-pyrrol-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-benzylpiperazino)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-pyrrolidino-methanone Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O3S/c1-17-20(22(27)25-10-6-7-11-25)21(18(2)23-17)30(28,29)26-14-12-24(13-15-26)16-19-8-4-3-5-9-19/h3-5,8-9,23H,6-7,10-16H2,1-2H3