piperidin-1-yl-[1,2,5-trimethyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-pyrrol-3-yl]methanone

Systemtic Name: piperidin-1-yl-[1,2,5-trimethyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-pyrrol-3-yl]methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[1,2,5-trimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-3-pyrrolyl]methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]-piperidin-1-ylmethanone Traditional Name: [4-(4-benzylpiperazino)sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]-piperidino-methanone Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C24H34N4O3S/c1-19-22(24(29)27-12-8-5-9-13-27)23(20(2)25(19)3)32(30,31)28-16-14-26(15-17-28)18-21-10-6-4-7-11-21/h4,6-7,10-11H,5,8-9,12-18H2,1-3H3