1-[4-(2-ethoxycarbonylpiperazin-1-yl)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]naphthalene-2-sulfonate

Systemtic Name: 1-[4-(2-ethoxycarbonylpiperazin-1-yl)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]naphthalene-2-sulfonate Openeye Name: 1-[4-(2-ethoxycarbonylpiperazin-1-yl)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]naphthalene-2-sulfonate CAS Name: 1-[4-(2-ethoxycarbonyl-1-piperazinyl)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]-2-naphthalenesulfonate IUPAC Name: 1-[4-(2-ethoxycarbonylpiperazin-1-yl)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]naphthalene-2-sulfonate Traditional Name: 1-[4-(2-carbethoxypiperazino)-6H-indolo[2,1-c][1,4]benzodiazepin-12-yl]naphthalene-2-sulfonate Formula: C33H29N4O5S- MolecularWeight: 593.67216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CNCCN1C2=CC=CC3=C2N4CC5=CC=CC=C5N=C(C4=C3)C6=C(C=CC7=CC=CC=C76)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1CNCCN1C2=CC=CC3=C2N4CC5=CC=CC=C5N=C(C4=C3)C6=C(C=CC7=CC=CC=C76)S(=O)(=O)[O-]

InChI

InChI=1S/C33H30N4O5S/c1-2-42-33(38)28-19-34-16-17-36(28)26-13-7-10-22-18-27-31(35-25-12-6-4-9-23(25)20-37(27)32(22)26)30-24-11-5-3-8-21(24)14-15-29(30)43(39,40)41/h3-15,18,28,34H,2,16-17,19-20H2,1H3,(H,39,40,41)/p-1