1-[2-(4-ethoxyphenyl)sulfonylethyl]-3,3-bis[3-(4-phenylpiperazin-1-yl)propyl]-1-propan-2-yl-urea

Systemtic Name: 1-[2-(4-ethoxyphenyl)sulfonylethyl]-3,3-bis[3-(4-phenylpiperazin-1-yl)propyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-isopropyl-3,3-bis[3-(4-phenylpiperazin-1-yl)propyl]urea CAS Name: 1-[2-(4-ethoxyphenyl)sulfonylethyl]-3,3-bis[3-(4-phenyl-1-piperazinyl)propyl]-1-propan-2-ylurea IUPAC Name: 1-[2-(4-ethoxyphenyl)sulfonylethyl]-3,3-bis[3-(4-phenylpiperazin-1-yl)propyl]-1-propan-2-ylurea Traditional Name: 1-isopropyl-3,3-bis[3-(4-phenylpiperazino)propyl]-1-(2-p-phenetylsulfonylethyl)urea Formula: C40H58N6O4S MolecularWeight: 718.99132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)CCN(C(C)C)C(=O)N(CCCN2CCN(CC2)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)CCN(C(C)C)C(=O)N(CCCN2CCN(CC2)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C40H58N6O4S/c1-4-50-38-17-19-39(20-18-38)51(48,49)34-33-46(35(2)3)40(47)45(23-11-21-41-25-29-43(30-26-41)36-13-7-5-8-14-36)24-12-22-42-27-31-44(32-28-42)37-15-9-6-10-16-37/h5-10,13-20,35H,4,11-12,21-34H2,1-3H3