N-[3-(2-azanylethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbenzenesulfonic acid

Systemtic Name: N-[3-(2-azanylethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbenzenesulfonic acid Openeye Name: N-[3-(2-aminoethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbenzenesulfonic acid CAS Name: N-[3-(2-aminoethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbenzenesulfonic acid IUPAC Name: N-[3-(2-aminoethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbenzenesulfonic acid Traditional Name: N-[3-(2-aminoethyl)-1H-indol-5-yl]-1H-pyrrole-2-carboxamide; 3-methylbesylic acid Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)O.C1=CNC(=C1)C(=O)NC2=CC3=C(C=C2)NC=C3CCN

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)O.C1=CNC(=C1)C(=O)NC2=CC3=C(C=C2)NC=C3CCN

InChI

InChI=1S/C15H16N4O.C7H8O3S/c16-6-5-10-9-18-13-4-3-11(8-12(10)13)19-15(20)14-2-1-7-17-14;1-6-3-2-4-7(5-6)11(8,9)10/h1-4,7-9,17-18H,5-6,16H2,(H,19,20);2-5H,1H3,(H,8,9,10)