2-[[4-[3-(1H-indol-2-ylcarbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 2-[[4-[3-(1H-indol-2-ylcarbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 2-[[4-[3-(1H-indole-2-carbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 2-[[4-[3-[[1H-indol-2-yl(oxo)methyl]amino]propoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 2-[[4-[3-(1H-indole-2-carbonylamino)propoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 2-[[4-[3-(1H-indole-2-carbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C27H27N3O6S/c1-18-7-5-9-22(27(32)33)25(18)30(2)37(34,35)21-13-11-20(12-14-21)36-16-6-15-28-26(31)24-17-19-8-3-4-10-23(19)29-24/h3-5,7-14,17,29H,6,15-16H2,1-2H3,(H,28,31)(H,32,33)