propan-2-yl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-[(4-methylpiperazin-1-yl)carbonylamino]phenyl]propanoate

Systemtic Name: propan-2-yl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-[(4-methylpiperazin-1-yl)carbonylamino]phenyl]propanoate Openeye Name: isopropyl 3-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]-3-[4-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]-3-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]-2-[prolyl(tosyl)amino]propionic acid isopropyl ester Formula: C30H41N5O6S MolecularWeight: 599.74144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C)C(=O)OC(C)C)C(=O)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C)C(=O)OC(C)C)C(=O)C4CCCN4

InChI

InChI=1S/C30H41N5O6S/c1-21(2)41-29(37)27(20-23-9-11-24(12-10-23)32-30(38)34-18-16-33(4)17-19-34)35(28(36)26-6-5-15-31-26)42(39,40)25-13-7-22(3)8-14-25/h7-14,21,26-27,31H,5-6,15-20H2,1-4H3,(H,32,38)