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

Systemtic Name: azepan-1-yl-[1,2,5-trimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[1,2,5-trimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[1,2,5-trimethyl-4-[(4-phenyl-1-piperazinyl)sulfonyl]-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[1,2,5-trimethyl-4-(4-phenylpiperazin-1-yl)sulfonylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[1,2,5-trimethyl-4-(4-phenylpiperazino)sulfonyl-pyrrol-3-yl]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)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O3S/c1-19-22(24(29)27-13-9-4-5-10-14-27)23(20(2)25(19)3)32(30,31)28-17-15-26(16-18-28)21-11-7-6-8-12-21/h6-8,11-12H,4-5,9-10,13-18H2,1-3H3