5-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethanoylamino]ethylamino]naphthalene-1-sulfinic acid

Systemtic Name: 5-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethanoylamino]ethylamino]naphthalene-1-sulfinic acid Openeye Name: 5-[2-[[2-[(4-isopropylphenyl)methylamino]acetyl]amino]ethylamino]naphthalene-1-sulfinic acid CAS Name: 5-[2-[[1-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]amino]ethylamino]-1-naphthalenesulfinic acid IUPAC Name: 5-[2-[[2-[(4-propan-2-ylphenyl)methylamino]acetyl]amino]ethylamino]naphthalene-1-sulfinic acid Traditional Name: 5-[2-[[2-[(4-isopropylbenzyl)amino]acetyl]amino]ethylamino]naphthalene-1-sulfinic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNCC(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNCC(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)O

InChI

InChI=1S/C24H29N3O3S/c1-17(2)19-11-9-18(10-12-19)15-25-16-24(28)27-14-13-26-22-7-3-6-21-20(22)5-4-8-23(21)31(29)30/h3-12,17,25-26H,13-16H2,1-2H3,(H,27,28)(H,29,30)