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

Systemtic Name: azepan-1-yl-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-[4-(2-methoxyphenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H36N4O4S/c1-19-23(25(30)28-13-9-5-6-10-14-28)24(20(2)26(19)3)34(31,32)29-17-15-27(16-18-29)21-11-7-8-12-22(21)33-4/h7-8,11-12H,5-6,9-10,13-18H2,1-4H3