3-ethyl-N-[4-(propylaminomethyl)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid

Systemtic Name: 3-ethyl-N-[4-(propylaminomethyl)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Openeye Name: 3-ethyl-N-[4-(propylaminomethyl)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid CAS Name: 3-ethyl-N-[4-(propylaminomethyl)-7-cyclohepta[b]indolyl]benzamide; 1-naphthalenesulfonic acid IUPAC Name: 3-ethyl-N-[4-(propylaminomethyl)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Traditional Name: 3-ethyl-N-[4-(propylaminomethyl)cyclohept[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Formula: C36H35N3O4S MolecularWeight: 605.7458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C4=CC(=CC=C4)CC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCNCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)C4=CC(=CC=C4)CC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C26H27N3O.C10H8O3S/c1-3-14-27-17-20-10-6-13-23-22-12-7-11-21(16-24(22)29-25(20)23)28-26(30)19-9-5-8-18(4-2)15-19;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h5-13,15-16,27H,3-4,14,17H2,1-2H3,(H,28,30);1-7H,(H,11,12,13)