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

Systemtic Name: 3-ethyl-N-[4-(propylamino)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Openeye Name: 3-ethyl-N-[4-(propylamino)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid CAS Name: 3-ethyl-N-[4-(propylamino)-7-cyclohepta[b]indolyl]benzamide; 1-naphthalenesulfonic acid IUPAC Name: 3-ethyl-N-[4-(propylamino)cyclohepta[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Traditional Name: 3-ethyl-N-[4-(propylamino)cyclohept[b]indol-7-yl]benzamide; naphthalene-1-sulfonic acid Formula: C35H33N3O4S MolecularWeight: 591.71922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=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

CCCNC1=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/C25H25N3O.C10H8O3S/c1-3-14-26-22-13-7-12-21-20-11-6-10-19(16-23(20)28-24(21)22)27-25(29)18-9-5-8-17(4-2)15-18;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h5-13,15-16,26H,3-4,14H2,1-2H3,(H,27,29);1-7H,(H,11,12,13)