methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidino)sulfonylbenzoyl]amino]propionic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H29N3O5S/c1-17-7-5-6-14-28(17)34(31,32)20-12-10-18(11-13-20)24(29)27-23(25(30)33-2)15-19-16-26-22-9-4-3-8-21(19)22/h3-4,8-13,16-17,23,26H,5-7,14-15H2,1-2H3,(H,27,29)/t17?,23-/m1/s1