methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2,2-dibesylethyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C28H30N2O8S3 MolecularWeight: 618.7414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)NCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O8S3/c1-20(2)41(36,37)29-17-22-18-30(26-15-14-21(16-25(22)26)28(31)38-3)19-27(39(32,33)23-10-6-4-7-11-23)40(34,35)24-12-8-5-9-13-24/h4-16,18,20,27,29H,17,19H2,1-3H3