2-[4-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-6-[(prop-2-enoylamino)methyl]benzenesulfonic acid

Systemtic Name: 2-[4-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-6-[(prop-2-enoylamino)methyl]benzenesulfonic acid Openeye Name: 2-[4-[[4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]phenoxy]-6-[(prop-2-enoylamino)methyl]benzenesulfonic acid CAS Name: 2-[4-[[9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]phenoxy]-6-[(1-oxoprop-2-enylamino)methyl]benzenesulfonic acid IUPAC Name: 2-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-6-[(prop-2-enoylamino)methyl]benzenesulfonic acid Traditional Name: 2-(acrylamidomethyl)-6-[4-[[4-(isopropylamino)-9,10-diketo-1-anthryl]amino]phenoxy]besylic acid Formula: C33H29N3O7S MolecularWeight: 611.66426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NC3=CC=C(C=C3)OC4=CC=CC(=C4S(=O)(=O)O)CNC(=O)C=C)C(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NC3=CC=C(C=C3)OC4=CC=CC(=C4S(=O)(=O)O)CNC(=O)C=C)C(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C33H29N3O7S/c1-4-28(37)34-18-20-8-7-11-27(33(20)44(40,41)42)43-22-14-12-21(13-15-22)36-26-17-16-25(35-19(2)3)29-30(26)32(39)24-10-6-5-9-23(24)31(29)38/h4-17,19,35-36H,1,18H2,2-3H3,(H,34,37)(H,40,41,42)