2-[2-[(5-methoxy-1H-indol-2-yl)carbonylamino]-4-[(phenylmethyl)amino]naphthalen-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[2-[(5-methoxy-1H-indol-2-yl)carbonylamino]-4-[(phenylmethyl)amino]naphthalen-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-(benzylamino)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]-1-naphthyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[(5-methoxy-1H-indol-2-yl)-oxomethyl]amino]-4-[(phenylmethyl)amino]-1-naphthalenyl]ethyl ester IUPAC Name: 2-[4-(benzylamino)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]naphthalen-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(benzylamino)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]-1-naphthyl]ethyl ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)NCC5=CC=CC=C5)CCOS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)NCC5=CC=CC=C5)CCOS(=O)(=O)C

InChI

InChI=1S/C30H29N3O5S/c1-37-22-12-13-26-21(16-22)17-29(32-26)30(34)33-28-18-27(31-19-20-8-4-3-5-9-20)24-11-7-6-10-23(24)25(28)14-15-38-39(2,35)36/h3-13,16-18,31-32H,14-15,19H2,1-2H3,(H,33,34)